U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C11H20O
Molecular Weight 168.2759
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 4-UNDECENAL, (4E)-

SMILES

CCCCCC\C=C\CCC=O

InChI

InChIKey=QGNDNDFXCNBMKI-BQYQJAHWSA-N
InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h7-8,11H,2-6,9-10H2,1H3/b8-7+

HIDE SMILES / InChI

Molecular Formula C11H20O
Molecular Weight 168.2759
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:51 UTC 2023
Edited
by admin
on Sat Dec 16 07:59:51 UTC 2023
Record UNII
P8DLC679QJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-UNDECENAL, (4E)-
Systematic Name English
J530.257I
Code English
TRANS-UNDEC-4-ENAL
Systematic Name English
FEMA NO. 4672
Code English
(E)-4-UNDECENAL
Systematic Name English
4-UNDECENAL, (E)-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION (E)-4-UNDECENAL
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
Code System Code Type Description
CAS
68820-35-9
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
PRIMARY
FDA UNII
P8DLC679QJ
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID101020026
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
PRIMARY
JECFA MONOGRAPH
2159
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
PRIMARY
PUBCHEM
5283357
Created by admin on Sat Dec 16 07:59:51 UTC 2023 , Edited by admin on Sat Dec 16 07:59:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> DEGRADENT
ASSAY (GC)
Scientific Literature